methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)-7-propoxy-thioxanthene-3-carboximidate

Systemtic Name: methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)-7-propoxy-thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-7-propoxy-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-9,10,10-trioxo-7-propoxy-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-7-propoxythioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-9,10,10-triketo-7-propoxy-thioxanthene-3-carboximidic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

Isomeric SMILES

CCCOC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

InChI

InChI=1S/C20H22N2O5S/c1-3-10-27-14-5-7-17-16(12-14)19(23)15-6-4-13(11-18(15)28(17,24)25)20(26-2)22-9-8-21/h4-7,11-12H,3,8-10,21H2,1-2H3